SCHEMBL1864602

SCHEMBL1864602

NOCc1ccc(C2CCCCC2)c(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.54
S1PR1 P21453 16/20 0.47
S1PR3 Q99500 9/20 0.47
S1PR4 O95977 2/20 0.44
S1PR5 Q9H228 2/20 0.44
ADORA3 P0DMS8 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL23118016 0.99 IDO1 (0.55) IDO1S1PR1S1PR3S1PR4S1PR5
SCHEMBL20863852 0.86 S1PR1 (0.47) S1PR1S1PR3S1PR4S1PR5ADORA3
SCHEMBL22504238 0.82 S1PR1 (0.47) S1PR1S1PR3S1PR4S1PR5
SCHEMBL27906385 0.82 S1PR1 (0.52) S1PR1S1PR3S1PR4S1PR5
SCHEMBL19119505 0.82 S1PR1 (0.49) S1PR1S1PR3S1PR4S1PR5
SCHEMBL2235318 0.82 S1PR1 (0.43) S1PR1S1PR3S1PR4S1PR5ADORA3
SCHEMBL24075682 0.81 NUDT1 (0.58) S1PR1S1PR3S1PR4S1PR5
SCHEMBL20863953 0.81 S1PR1 (0.42) S1PR1S1PR3S1PR4S1PR5ADORA3
SCHEMBL22504242 0.81 S1PR1 (0.42) S1PR1S1PR3S1PR4S1PR5ADORA3
SCHEMBL18671230 0.81 S1PR1 (0.45) S1PR1S1PR3S1PR4S1PR5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112745244-B Intermediate of simotimod and synthesis method thereof 苏州科伦药物研究有限公司 2024-05-03 CN disclosed
US-20230212115-A1 METHODS FOR THE PREPARATION OF SPHINGOSINE 1-PHOSPHATE RECEPTOR MODULATORS AND SOLID FORME THEREOF CIPLA LIMITED (IN) 2023-07-06 US disclosed
US-20230212115-A1 METHODS FOR THE PREPARATION OF SPHINGOSINE 1-PHOSPHATE RECEPTOR MODULATORS AND SOLID FORME THEREOF CIPLA LIMITED (IN) 2023-07-06 US disclosed
US-20230212115-A1 METHODS FOR THE PREPARATION OF SPHINGOSINE 1-PHOSPHATE RECEPTOR MODULATORS AND SOLID FORME THEREOF CIPLA LIMITED (IN) 2023-07-06 US disclosed
US-11673860-B2 Crystalline siponimod fumaric acid and polymorphs thereof TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2023-06-13 US disclosed
US-11673860-B2 Crystalline siponimod fumaric acid and polymorphs thereof TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2023-06-13 US disclosed
US-11673860-B2 Crystalline siponimod fumaric acid and polymorphs thereof TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2023-06-13 US disclosed
US-20220204446-A1 PROCESS FOR MAKING SIPONIMOD AND INTERMEDIATE THEREOF SYNTHON B.V. (NL) 2022-06-30 US disclosed
WO-2021240547-A2 METHODS FOR THE PREPARATION OF SPHINGOSINE 1-PHOSPHATE RECEPTOR MODULATORS AND SOLID FORMS THEREOF CIPLA LIMITED (IN) 2021-12-02 WO disclosed
CN-112745244-A Intermediate of siponimod and synthesis method thereof 苏州科伦药物研究有限公司 2021-05-04 CN disclosed
EP-1633336-A4 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2008-10-29 EP disclosed
EP-1718604-A4 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2008-02-13 EP disclosed
US-20070167410-A1 Immunosuppressant compounds and compositions IRM LLC (BM) 2007-07-19 US disclosed
CN-1922135-A Immunosuppressant compounds and compositions IRM LLC (BM) 2007-02-28 CN disclosed
EP-1718604-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM, LLC (BM) 2006-11-08 EP disclosed
CN-1791395-A Immunosuppressant compounds and compositions IRM LLC (BM) 2006-06-21 CN disclosed
EP-1633336-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2006-03-15 EP disclosed
WO-2005082841-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2005-09-09 WO disclosed
US-20050014728-A1 Immunosuppressant compounds and compositions IRM LLC 2005-01-20 US disclosed
WO-2004103306-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2004-12-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050014728-A1 Immunosuppressant compounds and compositions ICOS, EDNRA, NFATC1 IDO1 28/4885S1PR1 133/4885S1PR3 142/4885
US-20230212115-A1 METHODS FOR THE PREPARATION OF SPHINGOSINE 1-PHOSPHATE RECEPTOR MODULATORS AND SOLID FORME THEREOF S1PR1, S1PR2, S1PR3 IDO1 2940/4885S1PR1 1/4885S1PR3 3/4885
US-11673860-B2 Crystalline siponimod fumaric acid and polymorphs thereof FGF23, BRAF, FGFR1 IDO1 4536/4885S1PR1 36/4885S1PR3 53/4885
US-20220204446-A1 PROCESS FOR MAKING SIPONIMOD AND INTERMEDIATE THEREOF S1PR5, SPHK2, S1PR2 IDO1 329/4885S1PR1 4/4885S1PR3 7/4885
US-20070167410-A1 Immunosuppressant compounds and compositions ICOS, EDNRA, NFATC1 IDO1 27/4885S1PR1 141/4885S1PR3 146/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.